SCHEMBL8044280

SCHEMBL8044280

OCc1cc(Nc2cc(F)c(NCCc3c[nH]c4ccccc34)c(F)c2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
SLC2A1 P11166 1/20 0.47
RAD52 P43351 1/20 0.47
MEN1 O00255 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PTGS2 P35354 2/20 0.43
SPR P35270 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
CDK2 P24941 10/20 0.42
NQO1 P15559 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12811051 0.94 HDAC3 (0.43) KMT2APOLBSLC2A1RAD52MEN1
SCHEMBL12782063 0.89 HRH3 (0.49) KMT2APOLBSLC2A1RAD52MEN1
SCHEMBL8041068 0.89 POLB (0.47) KMT2APOLBSLC2A1RAD52NPC1
SCHEMBL8041612 0.88 CDK2 (0.46) KMT2APOLBSLC2A1RAD52MEN1
SCHEMBL12811071 0.86 MTNR1A (0.47) KMT2AMEN1HTR2AHTR6CDK2
SCHEMBL8042882 0.85 HTR2A (0.42) KMT2APOLBMEN1RAB9APTGS2
SCHEMBL8043532 0.85 KMT2A (0.54) KMT2APOLBSLC2A1RAD52MEN1
SCHEMBL12811037 0.84 ALDH1A1 (0.37) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL12845602 0.83 HRH3 (0.49) KMT2APOLBSLC2A1RAD52MEN1
SCHEMBL8042305 0.81 CDK2 (0.52) PTGS2CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2023-02-21 US disclosed
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 JANSSEN PHARMACEUTICA NV (BE) 2020-04-23 US disclosed
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-04-27 US disclosed
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2017-04-27 US disclosed
US-9573933-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2017-02-21 US disclosed
US-9573933-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2017-02-21 US disclosed
EP-2203440-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2011-03-23 EP disclosed
US-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN PHARMACEUTICAL NV (BE) 2010-09-23 US disclosed
US-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN PHARMACEUTICAL NV (BE) 2010-09-23 US disclosed
WO-2009037308-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2009-03-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100240637-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 KMT2A 2789/4885POLB 1537/4885SLC2A1 4527/4885
US-20170112818-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 KMT2A 2789/4885POLB 1537/4885SLC2A1 4527/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 KMT2A 2789/4885POLB 1537/4885SLC2A1 4527/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 KMT2A 2768/4885POLB 1301/4885SLC2A1 4586/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.